1-cyclopentyl-2-(3-cyclopropylpropyl)-3-ethylguanidine;hydroiodide

C14H28IN3 — CID 111790884

IUPAC1-cyclopentyl-2-(3-cyclopropylpropyl)-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CCCC1CC1)NC1CCCC1.I
InChIInChI=1S/C14H27N3.HI/c1-2-15-14(17-13-7-3-4-8-13)16-11-5-6-12-9-10-12;/h12-13H,2-11H2,1H3,(H2,15,16,17);1H
InChIKeyCMVDRYXMQWUGSO-UHFFFAOYSA-N
MW365.30 g/mol
LogP3.29
Rot. Bonds6

About 1-cyclopentyl-2-(3-cyclopropylpropyl)-3-ethylguanidine;hydroiodide

1-cyclopentyl-2-(3-cyclopropylpropyl)-3-ethylguanidine;hydroiodide (PubChem CID 111790884) has the molecular formula C14H28IN3 and a molecular weight of 365.30 g/mol. Its IUPAC name is 1-cyclopentyl-2-(3-cyclopropylpropyl)-3-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-2-(3-cyclopropylpropyl)-3-ethylguanidine;hydroiodide
PubChem CID111790884
Molecular FormulaC14H28IN3
Molecular Weight365.30 g/mol
Exact Mass365.13
IUPAC Name1-cyclopentyl-2-(3-cyclopropylpropyl)-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CCCC1CC1)NC1CCCC1.I
InChIInChI=1S/C14H27N3.HI/c1-2-15-14(17-13-7-3-4-8-13)16-11-5-6-12-9-10-12;/h12-13H,2-11H2,1H3,(H2,15,16,17);1H
InChIKeyCMVDRYXMQWUGSO-UHFFFAOYSA-N
XLogP3.29
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-cyclopentyl-2-(3-cyclopropylpropyl)-3-ethylguanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-2-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide
CID 111604591
2-(4-cyclopentylbutyl)-1,3-diethylguanidine
CID 111465882
4-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
CID 110991754
1-cyclohexyl-2-(4-ethoxybutyl)-3-ethylguanidine;hydroiodide
CID 110957459
2-(4-cyclopentylbutyl)-1-(1,1-dioxothiolan-3-yl)-3-ethylguanidine;hydroiodide
CID 111792455
1-cyclopentyl-2-(3-cyclopentyloxypropyl)-3-ethylguanidine
CID 110990933
tert-butyl N-[3-[[(cyclohexylamino)-(ethylamino)methylidene]amino]propyl]carbamate;hydroiodide
CID 110959324
methyl 6-[[(cyclohexylamino)-(ethylamino)methylidene]amino]hexanoate;hydroiodide
CID 110958462
1-cyclopropyl-3-ethyl-2-(4-methylpentyl)guanidine;hydroiodide
CID 110987969
2-(3-cyclopropylpropyl)-1-ethyl-3-pentylguanidine
CID 111792061
1-cyclohexyl-3-ethyl-2-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 110959024
1-cyclopentyl-3-ethyl-2-[4-(4-ethylpiperazin-1-yl)butyl]guanidine
CID 110990407

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(3-cyclopropylpropyl)-3-ethylguanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-2-(3-cyclopropylpropyl)-3-ethylguanidine;hydroiodide (CID 111790884) is 1-cyclopentyl-2-(3-cyclopropylpropyl)-3-ethylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-2-(3-cyclopropylpropyl)-3-ethylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-2-(3-cyclopropylpropyl)-3-ethylguanidine;hydroiodide is CCN/C(=N\CCCC1CC1)NC1CCCC1.I.
What is the InChIKey of 1-cyclopentyl-2-(3-cyclopropylpropyl)-3-ethylguanidine;hydroiodide?
The InChIKey is CMVDRYXMQWUGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3.HI/c1-2-15-14(17-13-7-3-4-8-13)16-11-5-6-12-9-10-12;/h12-13H,2-11H2,1H3,(H2,15,16,17);1H.
What are the key properties of 1-cyclopentyl-2-(3-cyclopropylpropyl)-3-ethylguanidine;hydroiodide?
1-cyclopentyl-2-(3-cyclopropylpropyl)-3-ethylguanidine;hydroiodide has a molecular weight of 365.30 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(3-cyclopropylpropyl)-3-ethylguanidine;hydroiodide is sourced from PubChem (CID 111790884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).